Home Halogens 4,5-dibromo-3-methoxythiophene-2-carboxylic acid

4,5-dibromo-3-methoxythiophene-2-carboxylic acid

CAS No.:
120715-53-9
Catalog Number:
AG01B2M3
Molecular Formula:
C6H4Br2O3S
Molecular Weight:
315.9672
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Product Description
Catalog Number:
AG01B2M3
Chemical Name:
4,5-dibromo-3-methoxythiophene-2-carboxylic acid
CAS Number:
120715-53-9
Molecular Formula:
C6H4Br2O3S
Molecular Weight:
315.9672
MDL Number:
MFCD26129618
IUPAC Name:
4,5-dibromo-3-methoxythiophene-2-carboxylic acid
InChI:
InChI=1S/C6H4Br2O3S/c1-11-3-2(7)5(8)12-4(3)6(9)10/h1H3,(H,9,10)
InChI Key:
KRPZDVMWQRIHOA-UHFFFAOYSA-N
SMILES:
COc1c(sc(c1Br)Br)C(=O)O
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.823g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
315.963g/mol
Monoisotopic Mass:
313.825g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties